| SpectraBase Compound ID | 79vIaYUga2r |
|---|---|
| InChI | InChI=1S/C8H7BrO3/c1-12-7-3-5(4-10)2-6(9)8(7)11/h2-4,11H,1H3 |
| InChIKey | KLSHZDPXXKAHIJ-UHFFFAOYSA-N |
| Mol Weight | 231.04 g/mol |
| Molecular Formula | C8H7BrO3 |
| Exact Mass | 229.957857 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CCvBhqditzC |
|---|---|
| Name | KLSHZDPXXKAHIJ-UHFFFAOYSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C8H7BrO3 |
| InChI | InChI=1S/C8H7BrO3/c1-12-7-3-5(4-10)2-6(9)8(7)11/h2-4,11H,1H3 |
| InChIKey | KLSHZDPXXKAHIJ-UHFFFAOYSA-N |
| Literature Reference Author | ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ |
| Literature Reference Citation | UNI_MAINZ,INTERNAL_DB(2006) |
| Molecular Weight | 231.046 g/mol |
| Source File Reference | MHKO4772 |